SCHEMBL15086342

SCHEMBL15086342

CC1=CN2C=C(C3=Cc4ccc(N5CCN6CCC[C@H]6C5)cc4CCC3=O)C=CC=C2C=N1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.36
HRH3 Q9Y5N1 1/20 0.34
HDAC4 P56524 1/20 0.32
ADCY5 O95622 1/20 0.32
SOS1 Q07889 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15086152 0.72 HTR6 (0.31) HTR6
SCHEMBL15086353 0.70 TLR9 (0.41) HTR6HRH3ADCY5
SCHEMBL15086289 0.70 HTR6 (0.37) HTR6HRH3HDAC4ADCY5
SCHEMBL15086359 0.69 HRH3 (0.39) HTR6HRH3HDAC4ADCY5
SCHEMBL15086519 0.68 HRH3 (0.36) HTR6HRH3HDAC4SOS1
SCHEMBL15086341 0.68
SCHEMBL15086232 0.68 TMEM97 (0.32) HTR6
SCHEMBL16844842 0.67 HTR6 (0.38) HTR6HRH3HDAC4SOS1
SCHEMBL21301330 0.65 HRH3 (0.38) HTR6HRH3HDAC4ADCY5SOS1
SCHEMBL15086464 0.60

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 WO disclosed